Search results for "magnetic resonance spectroscopy"

showing 10 items of 1362 documents

Synthesis, characterization of diorganotin(IV) complexes of N-(2-hydroxyarylidene)aminoacetic acid and antitumour screening in vivo in ehrlich ascite…

2001

Some new diorganotin(IV) complexes have been prepared by reacting potassium N-(2-hydroxyarylidene)aminoacetate with R2SnCl2(R = Me,nBu,Ph). The complexes have been characterized by 1H,13C,119Sn NMR, IR and 119mSn Mössbauer spectroscopic techniques in combination with elemental analysis. In the solid state, the complexes possess penta- and hexa-coordinated tin centres. The hexa-coordinated tin complexes were found to dissociate in solution, giving rise to penta-coordinated species as revealed by 119Sn NMR spectroscopy. Antitumour screening in vivo of the complexes L4snPh2,L4SnPh2· Ph3SnCl and L4SntBU2·t Bu2SnCl2 (L4 = N-(2-hydroxyacetophenone)aminoacetate) is also reported. Copyright © 2001 …

AldiminesynthesisStereochemistryMossbauer spectroscopyInfrared spectroscopyAntitumour activityanimal cellantineoplastic activitydissociationChemical synthesisMedicinal chemistryEhrlich ascites tumor cellEhrlich ascites carcinomaInorganic Chemistryin vivo studychemistry.chemical_compoundAcetic acidOrganotinmalecomplex formationorganotin compoundcontrolled studyCarboxylateinfrared spectroscopyEhrlich ascites carcinoma cellmouseglycine derivativenuclear magnetic resonance spectroscopychemistry.chemical_classificationSchiff basenonhumananimal modelarticleGeneral ChemistryNuclear magnetic resonance spectroscopysolid stateNMRAmino acidchemistryreaction analysiSettore CHIM/03 - Chimica Generale E InorganicaIRSchiff baseschemical analysi
researchProduct

Paramagnetic NMR investigations of Co(II) and Ni(II) amicyanin.

1999

The paramagnetic 1H NMR spectra of the Co(II) and Ni(II) substituted forms of the type 1 blue copper protein (cupredoxin) amicyanin have been assigned. This is the first such analysis of a cupredoxin, which has a distorted tetrahedral active site with the ligands provided by two histidines, a cysteine and a methionine. The isotropic shifts of the resonances in these spectra are compared with those of Co(II) and Ni(II) azurin. A number of interesting similarities and differences are found. The coordination of the metal by the two equatorial histidine ligands is very similar in both proteins. The interaction between the introduced metal and the thiolate sulfur of the equatorial cysteine ligan…

AmicyaninMagnetic Resonance SpectroscopyCopper proteinPhotochemistryLigandsBiochemistryInorganic ChemistryMethionineBacterial ProteinsAzurinNickelHistidineHistidineBinding SitesbiologyLigandChemistryActive siteCobaltCrystallographybiology.proteinProton NMRSpectrophotometry UltravioletAzurinCopperCysteineJournal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
researchProduct

Identification of a new series of amides as non-covalent proteasome inhibitors

2014

Proteasome inhibition has emerged as an important therapeutic strategy for the treatment of multiple myeloma (MM) and some forms of lymphoma, with potential application in other types of cancers. 20S proteasome consists of three different catalytic activities known as chymotrypsin-like (ChT-L), trypsin-like (T-L), and, post-glutamyl peptide hydrolyzing (PGPH) or caspase-like (C-L), which are located respectively on the β5, β2, and β1 subunits of each heptameric β rings. Currently a wide number of covalent proteasome inhibitors are reported in literature; however, the less widely investigated non-covalent inhibitors might be a promising alternative to employ in therapy, because of the lack o…

AmideMagnetic Resonance SpectroscopyStereochemistryProtein subunitPeptideMolecular Docking SimulationDrug DiscoverymedicineHumansProteasome inhibitorDocking studiesMultiple myelomaPharmacologychemistry.chemical_classificationOrganic ChemistryGeneral Medicinemedicine.diseaseAmidesYeastMolecular Docking SimulationchemistryProteasomeBiochemistryNon-covalent inhibitorDocking (molecular)Covalent bondProteasome Inhibitors
researchProduct

Triterpene saponins from the roots ofAmpelozizyphus amazonicus

1992

A new triterpene saponin was isolated from the roots of Ampelozizyphus amazonicus together with the known 3-O-beta-D-glucopyranosyl-20-O-alpha-L-rhamnopyranosyljujubogenin and the known triterpenes melaleucic acid, 3 beta,27 alpha-dihydroxylup-20(29)-en-28 beta-oic acid, betulinic acid, betulin, lupeol. The structure of this saponin was elucidated as 3-O-[beta-D-glucopyranosyl(1----2)alpha-L-arabinopyranosyl]- 20-O-alpha-L-rhamnopyranosyljujubogenin by spectral analysis and chemical transformations.

AmpelozizyphusMagnetic Resonance SpectroscopyStereochemistryMolecular Sequence DataSaponinPlant ScienceHorticultureBiochemistryTerpenechemistry.chemical_compoundTriterpeneBetulinic acidMolecular BiologyLupeolchemistry.chemical_classificationPlants MedicinalBetulinMolecular StructurebiologyGeneral MedicineSaponinsbiology.organism_classificationTriterpenesCarbohydrate SequencechemistryRhamnaceaePhytochemistry
researchProduct

Thioflavin T Hydroxylation at Basic pH and Its Effect on Amyloid Fibril Detection

2008

The fluorescent dye thioflavin T (ThT) is commonly used for in situ amyloid fibril detection. In this work, we focused on the spectroscopic properties and chemical stability of ThT in aqueous solution as a function of pH, temperature, and dye concentration. A reversible hydroxylation process occurs in alkaline solutions, which was characterized using a combination of UV-vis absorption spectroscopy, proton NMR, and density functional theory (DFT). On the basis of these studies, we propose a chemical structure for the hydroxylated form. Finally, by means of fluorescence spectroscopy, ThT hydroxylation effects on in situ amyloid detection have been investigated, providing new insights on the e…

AmyloidMagnetic Resonance SpectroscopyAqueous solutionTemperatureThioflavin T AmyloidHydrogen-Ion ConcentrationHydroxylationPhotochemistryFibrilFluorescenceFluorescence spectroscopySurfaces Coatings and FilmsHydroxylationKineticsThiazoleschemistry.chemical_compoundchemistryMaterials ChemistryProton NMROrganic chemistrySpectrophotometry UltravioletThioflavinChemical stabilityBenzothiazolesPhysical and Theoretical ChemistryThe Journal of Physical Chemistry B
researchProduct

H2-Antihistaminika, 36. Mitt. Isolamtidin und Analoge

1987

Isolamtidin (9a), ein Stellungsisomer des Lamtidins (8a), sowie die analogen N3-substituierten 1-Methyl-1H-1,2,4-triazol-3,5-diamine 9e-i, k wurden durch spezifische Synthese dargestellt und am isolierten Meerschweinchenvorhof und an der histaminstimulierten Sauresekretion der narkotisierten Ratte auf H2-antagonistische Wirkung untersucht. H2-Antihistaminics, XXXVI: Isolamitidine and Analogues Isolamitidine (9a), a position isomer of lamtidine (8a), as well as the analogous N3-substituted 1-methyl-1H-1,2,4-triazole-3,5-diamines 9e-i, k were prepared and tested for H2-antagonistic activity on the isolated guinea-pig atrium and towards the histamine-stimulated acid secretion of the anaestheti…

Anaesthetized ratIsolamtidinAtrium (architecture)ChemistryStereochemistryDrug DiscoveryPharmaceutical ScienceBiological activityNuclear magnetic resonance spectroscopyArchiv der Pharmazie
researchProduct

Influence of Amorphous TiO2-x on Titania Nanoparticle Growth and Anatase-to-Rutile Transformation

2012

Amorphous TiO2-x formed together with precursors and anatase nuclei, during TiCl4 hydrolysis at soft conditions, influences both crystal growth and phase stability. The highly defective nanoparticles of anatase grow by reaction of their basic hydroxyls with acidic ones of TiO2 precursor species. The growth of anatase crystals, however, is affected by their interactions with simultaneously formed amorphous TiO2-x which increasingly covers the particles hindering the anatase-precursor contact. The interactions among anatase and amorphous and precursor components have been studied by H-1-MAS (magic angle spinning) NMR spectroscopy. The interaction between acid and basic hydroxyls favors the fo…

AnataseMaterials scienceInorganic chemistryNanoparticleCrystal growthNuclear magnetic resonance spectroscopySurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsAmorphous solidHydrolysisGeneral EnergyChemical engineeringRutileMagic angle spinningPhysical and Theoretical Chemistry
researchProduct

Simultaneous endo and exo  Complex Formation of Pyridine[4]arene Dimers with Neutral and Anionic Guests

2017

The formation of complexes between hexafluorophosphate (PF6- ) and tetraisobutyloctahydroxypyridine[4]arene has been thoroughly studied in the gas phase (ESI-QTOF-MS, IM-MS, DFT calculations), in the solid state (X-ray crystallography), and in chloroform solution (1 H, 19 F, and DOSY NMR spectroscopy). In all states of matter, simultaneous endo complexation of solvent molecules and exo complexation of a PF6- anion within a pyridine[4]arene dimer was observed. While similar ternary complexes are often observed in the solid state, this is a unique example of such behavior in the gas phase.

Anion bindingStereochemistryhexafluorophosphateDimeraromatic hydrocarbonsIon mobility mass spectrometrycoordination complex010402 general chemistry01 natural sciencesCatalysischemistry.chemical_compoundHexafluorophosphatePyridineMoleculePyridine[4]arenesAnion bindingta116Chloroformta114Resorcinarenes010405 organic chemistryGeneral ChemistryNuclear magnetic resonance spectroscopy0104 chemical sciencesSolventCrystallographychemistryMolecular recognitionAngewandte Chemie International Edition
researchProduct

NMR Spectroscopic Evidence for the Intermediacy of XeF3− in XeF2/F− Exchange, Attempted Syntheses and Thermochemistry of XeF3− Salts, and Theoretical…

2010

The existence of the trifluoroxenate(II) anion, XeF(3)(-), had been postulated in a prior NMR study of the exchange between fluoride ion and XeF(2) in CH(3)CN solution. The enthalpy of activation for this exchange, ΔH(⧧), has now been determined by use of single selective inversion (19)F NMR spectroscopy to be 74.1 ± 5.0 kJ mol(-1) (0.18 M) and 56.9 ± 6.7 kJ mol(-1) (0.36 M) for equimolar amounts of [N(CH(3))(4)][F] and XeF(2) in CH(3)CN solvent. Although the XeF(3)(-) anion has been observed in the gas phase, attempts to prepare the Cs(+) and N(CH(3))(4)(+) salts of XeF(3)(-) have been unsuccessful, and are attributed to the low fluoride ion affinity of XeF(2) and fluoride ion solvation in…

AnionsAcetonitrilesMagnetic Resonance SpectroscopyXenonChemistryInorganic chemistrySolvationNuclear magnetic resonance spectroscopyElectron localization functionIonInorganic ChemistryFluoridesCrystallographyMolecular geometryThermochemistryQuantum TheoryThermodynamicsSaltsDensity functional theoryPhysical and Theoretical ChemistryLone pairInorganic Chemistry
researchProduct

"Identification of mixed bromidochloridotellurate anions in disordered crystal structures of (bdmim)2[TeX2Y4] (X, Y = Br, Cl; bdmim = 1-butyl-2,3-dim…

2013

Abstract The discrete mixed [TeBrxCl6−x]2− anions in their disordered crystal structures have been identified by using the phases prepared by the reaction of 1-butyl-2,3-dimethylimidazolium halogenides (bdmim)X with tellurium tetrahalogenides TeX4 (X = Cl, Br) as examples. Homoleptic (bdmim)2[TeX6] [X = Cl (1), Br (2)] and mixed (bdmim)2[TeBr2Cl4] (3), and (bdmim)2[TeBr4Cl2] (4) are formed depending on the choice of the reagents, and their crystal structures have been determined by single-crystal X-ray diffraction. The coordination environments of tellurium in all hexahalogenidotellurates are almost octahedral. Because of the crystallographic disorder, the mixed [TeBr2Cl4]2− and [TeBr4Cl2]2…

AnionsBromidesModels MolecularMagnetic Resonance SpectroscopyAb initiochemistry.chemical_elementCrystal structureCrystallography X-RaySpectrum Analysis RamanAnalytical Chemistrysymbols.namesakechemistry.chemical_compoundChloridesX-Ray DiffractionHomolepticInstrumentationta116SpectroscopyMolecular StructureChemistryImidazolesAtomic and Molecular Physics and OpticsCrystallographyOctahedronsymbolsTellurium tetrachlorideQuantum TheoryTelluriumRaman spectroscopyTelluriumPowder diffractionSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
researchProduct